Mol:
88-76-6.mol by:chem960.com
ChemDraw08031019472D
…………
000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
3 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
10 15 1 0
15 16 2 0
15 17 2 0
15 18 1 0
7 2 1 0
13 8 1 0
M END
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3-甲基-1-(2'-氯-5'-磺酸苯基)-5-吡唑啉酮 MDL:
MFCD00020745
3-甲基-1-(2'-氯-5'-磺酸苯基)-5-吡唑啉酮 InChIKey:
UWLNKHDLVZEYKQ-UHFFFAOYSA-N
3-甲基-1-(2'-氯-5'-磺酸苯基)-5-吡唑啉酮 Inchi:
1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)
3-甲基-1-(2'-氯-5'-磺酸苯基)-5-吡唑啉酮 SMILES:
O=C1CC(C)=NN1C1C(Cl)=CC=C(S(O)(=O)=O)C=1